(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone

C13H13ClN2O — CID 110463745

IUPAC(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H13ClN2O/c1-3-12-15-7-8-16(12)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3
InChIKeyZFSQYEXPLHVFCZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.10
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone

(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone (PubChem CID 110463745) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
PubChem CID110463745
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H13ClN2O/c1-3-12-15-7-8-16(12)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3
InChIKeyZFSQYEXPLHVFCZ-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
2-ethyl-N,N-dimethylimidazole-1-carboxamide
CID 110459897
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone (CID 110463745) is (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone is CCc1nccn1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone?
The InChIKey is ZFSQYEXPLHVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-3-12-15-7-8-16(12)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone?
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone has a molecular weight of 248.71 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone is sourced from PubChem (CID 110463745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).